3-(1H-indol-3-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

• ChemBase ID: 188841
• Molecular Formular: C19H16N2O3
• Molecular Mass: 320.34194
• Monoisotopic Mass: 320.11609238
• SMILES: N1(C(=O)C(c2c[nH]c3c2cccc3)CC1=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)N1C(=O)CC(C1=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H16N2O3/c1-24-13-6-4-5-12(9-13)21-18(22)10-15(19(21)23)16-11-20-17-8-3-2-7-14(16)17/h2-9,11,15,20H,10H2,1H3
• InChIKey: WWTNGKIEHTUEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-indol-3-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(1H-indol-3-yl)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164244751
• PubChem CID: 2905116

CALCULATED PROPERTIES

• Acid pKa: 15.718754
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.506044
• LogD (pH = 7.4): 2.506044
• Log P: 2.506044
• Molar Refractivity: 89.1749 cm^3
• Polarizability: 35.54136 Å^3
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds